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Table 5 Local relevance conservation for c1c([N +]([O−]) = O)ccc(Br)c1

From: Transformer-CNN: Swiss knife for QSAR modeling and interpretation

Layer Relevance, R (L + 1) Relevance, R (L) Delta, R (L + 1)-R (L) Bias, Delta / R (L + 1) *100%
Result 0.98119
HighWay Output 0.98119 0.9300 0.0512 5.21
HighWay Input 0.9300 0.7227 0.2073 22.3
DeMaxPool 0.7227 0.7371  − 0.0144  − 1.98
Conv1 0.0090 0.0117  − 0.00271  − 30.1
Conv2 0.1627 0.1627 0a 0
Conv3 − 0.0443  − 0.0443 0 0
Conv4 0.0191 0.0191 0 0
Conv5 − 0.0984  − 0.0984 0 0
Conv6 − 0.0136  − 0.0136 0 0
Conv7 0.0806 0.0806 0 0
Conv8 0.0957 0.0957 0 0
Conv9 0.1528 0.1528 0 0
Conv10 0.0845 0.0845 0 0
Conv15 0.1038 0.1038 0 0
Conv20 0.1851 0.1851 0 0
Total 0.98119 0.7398 0.2414 24.6
  1. aAll 0 values were all less than 10− 5